REMARK  Name = BDB017687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.132  -1.391  -0.018  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1       -1.019  -1.102   1.028  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.312  -0.650   0.751  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.754  -0.461  -0.567  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -4.133   0.037  -0.790  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1       -4.560   0.320  -2.086  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -3.805   0.615  -2.699  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.798   1.055  -2.319  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.865   0.573  -1.343  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.371   0.690   0.102  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.949   0.221   0.268  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.477  -0.004   1.661  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -5.209   0.175   2.630  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.869  -0.778  -1.607  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1       -3.182  -0.404   1.817  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -2.878  -0.549   2.770  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.573  -1.234  -1.337  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1        1.266  -1.892   0.278  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1        4.752   0.212   0.596  0.00  0.00    -0.306 N 
ATOM     20  C   LIG    1        4.569  -1.235   0.717  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        3.317  -1.573   1.560  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        2.052  -0.962   1.103  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        2.291   0.322   0.400  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        3.577   1.058   0.838  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        7.453   2.333  -0.166  0.00  0.00    +0.241 A 
ATOM     26  N   LIG    1        6.141   2.090   0.209  0.00  0.00    -0.195 NA
ATOM     27  C   LIG    1        5.937   0.789   0.262  0.00  0.00    +0.182 A 
ATOM     28  S   LIG    1        7.393  -0.067  -0.168  0.00  0.00    +0.050 S 
ATOM     29  N   LIG    1        8.283   1.321  -0.414  0.00  0.00    -0.177 NA
BRANCH  25  31
ATOM     30  N   LIG    1        8.302   4.779  -0.398  0.00  0.00    -0.188 NA
ATOM     31  C   LIG    1        7.925   3.683  -0.294  0.00  0.00    +0.141 C 
ENDBRANCH  25  31
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 4